Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSRRAYAEMFGPTVGDRIRLADTALFIEVEQDLTTYGEEVKFGGGKVIRDGMGQSQLLADEVADTVITNALIVDWWGIVKADVGLKNGRIWKIGKAGNPDIQPDITIPLGAATEVIAGEGQILTAGGIDTHIHWICPQQVETALMSGTTTMVGGGTGPAAGTSATTVTPGPWHIATMLQAIDDLPMNIGLLGKGNLSLPDPIREQIKAGVIGLKLHEDWGSTPAAIDNCLSVADEYDVQVAIHTDTLNEGGFLEETLAAFKDRTIHTYHTEGAGGGHAPDILKAIGQSNVLPSSTNPTRPYTINTIDEHLDMLMVCHHLDPAIAEDIAFAESRIRRETIAAEDILQDLGAIVMMSSDSQAMGRVGEVILRTWQTAHKMKVQRGPLEGDNEFHDNNRIKRYIAKYTINPAITHGLSHEIGSVEVGKLADLVLWKPAFFGVKPSMIIKGGMIAAAPMGDINASIPTPQPVHYRPMFGAYPRGVHNTCITFLSQAAIDEKVAEKLNLKKLISPCKNTRSITKADMKHNTYCPVMQVHPETYEVRADGELLTCEPADVLPMAQRYFLF 1A5N Chain:C ((2-566)) -NISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVIRDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGVTTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQPDALREQVAAGVIGLAIHEDWGATPAAIDCALTVADEMDIQVALHSDTLNESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPTLPYTLNTIDEHLDM---------------AFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRYFLF

General information: TITO was launched using: RESULT: Template: 1A5N.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3618 -229577 -63.45 -417.41 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.93 3D Compatibility (PKB) : -63.45 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_1A5N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A5N-query.scw PDB file : Tito_Scwrl_1A5N.pdb: